ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate

C12H23N3O4 — CID 47454097

IUPACethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(=O)NC(=O)NC)CC(C)C
InChIInChI=1S/C12H23N3O4/c1-5-19-11(17)8-15(6-9(2)3)7-10(16)14-12(18)13-4/h9H,5-8H2,1-4H3,(H2,13,14,16,18)
InChIKeyKKKWAPFENXFYAY-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.04
Rot. Bonds7

About ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate

ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate (PubChem CID 47454097) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate
PubChem CID47454097
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Nameethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(=O)NC(=O)NC)CC(C)C
InChIInChI=1S/C12H23N3O4/c1-5-19-11(17)8-15(6-9(2)3)7-10(16)14-12(18)13-4/h9H,5-8H2,1-4H3,(H2,13,14,16,18)
InChIKeyKKKWAPFENXFYAY-UHFFFAOYSA-N
XLogP-0.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate with MolForge

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Related Compounds

methyl (2S)-3-[ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 95159514
Ethyl (4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)acetate
CID 14678127
N-acetylglycyl-N-acetylglycine ethyl ester
CID 86170501
Ethyl 2-(2-tert-butyl-5-oxoimidazolidin-1-yl)acetate
CID 134894331
Ethyl 2-({[3-(2-amino-2-oxoethyl)-2,4-dioxoimidazolidin-1-yl]carbonyl}amino)acetate
CID 155490328
Ethyl 2-{3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl}acetate
CID 155490329
2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 34411603
Ethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate
CID 47082451
Methyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate
CID 47454094
Methyl 3-[ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 53551876
1-(2-Acetoxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidine
CID 593013
Ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate
CID 10754772

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate (CID 47454097) is ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(=O)NC(=O)NC)CC(C)C.
What is the InChIKey of ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate?
The InChIKey is KKKWAPFENXFYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-5-19-11(17)8-15(6-9(2)3)7-10(16)14-12(18)13-4/h9H,5-8H2,1-4H3,(H2,13,14,16,18).
What are the key properties of ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate?
ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate has a molecular weight of 273.33 g/mol, XLogP of -0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 47454097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).